Summary

IMPPAT Phytochemical identifier: IMPHY010391

Phytochemical name: Hexyl stearate

Synonymous chemical names:
hexyl stearate

External chemical identifiers:
CID:77005, SureChEMBL:SCHEMBL33578

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCCCCC

InChI:
InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3

InChIKey:
SMWDEDPRQFUXNH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OCCCCCC

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.15

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Chemical structure download